Mol:FL4DPTNS0005

From Metabolomics.JP
Revision as of 09:00, 7 October 2008 by Editor (Talk | contribs)

(diff) ← Older revision | Latest revision (diff) | Newer revision → (diff)
Jump to: navigation, search

FL4DPTNS0005.png

<pre>

Copyright: ARM project http://www.metabolome.jp/
 24 27  0  0  0  0  0  0  0  0999 V2000
   -1.8429   -0.4820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3220   -0.7827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8011   -0.4820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8011    0.1195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3220    0.4202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8429    0.1195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2802   -0.7827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2407   -0.4820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2407    0.1195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2802    0.4202    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7610    0.4199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2802   -1.3066    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2954    0.1114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8298    0.4199    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8298    1.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2954    1.3454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7610    1.0369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7708   -0.8524    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2864   -0.4812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3632    0.4199    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3632    1.3449    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3632    0.1119    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7763   -0.9329    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0618   -1.3454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  1  1  0  0  0  0
  3  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10  4  1  0  0  0  0
  9 11  1  6  0  0  0
  7 12  2  0  0  0  0
 11 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 11  1  0  0  0  0
  8 18  1  1  0  0  0
 13 19  1  0  0  0  0
 19 18  1  0  0  0  0
  6 20  1  0  0  0  0
 15 21  1  0  0  0  0
 14 22  1  0  0  0  0
  2 23  1  0  0  0  0
 23 24  1  0  0  0  0
M  STY  1   1 SUP
M  SLB  1   1   1
M  SAL   1  2  23  24
M  SBL   1  1  26
M  SMT   1 OCH3
M  SBV   1 26   -8.5069    4.5248
S  SKP  8
ID	FL4DPTNS0005
KNApSAcK_ID	C00008605
NAME	5-Methoxymopanone
CAS_RN	38279-50-4
FORMULA	C17H14O7
EXACTMASS	330.073952802
AVERAGEMASS	330.28886
SMILES	COc(c4)c(C(=O)1)c(cc(O)4)OC(c32)C(OCc(c(O)c(O)cc3)2)1
M  END

</pre>

Personal tools
Namespaces

Variants
Actions
Navigation
metabolites
Toolbox